4V1Y
The structure of the hexameric atrazine chlorohydrolase, AtzA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-10 |
| Detector | ADSC CCD |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 117.487, 195.564, 283.882 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 161.050 - 2.800 |
| R-factor | 0.1889 |
| Rwork | 0.187 |
| R-free | 0.21794 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hpa |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.505 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.230 | 0.910 |
| Number of reflections | 161122 | |
| <I/σ(I)> | 8.8 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.1 | THE PROTEIN WAS CONCENTRATED TO 11.4 MG/ML AND SET UP IN A 1:1 RATIO, 150 NL PLUS 150 NL, WITH 50 MM HEPES PH 7.1, 2.7% DIETHYLENE GLYCOL, 5.5% PEG 8000 |
